==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-11 3VHO . COMPND 2 MOLECULE: ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.-S.CHENG,T.-P.KO,R.-T.GUO,J.-R.LIU . 513 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 231 45.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 6 6 0 2 0 7 2 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 161 0, 0.0 2,-0.4 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 -58.4 1.8 -16.7 22.6 2 2 A V E +A 39 0A 20 37,-2.5 37,-2.5 8,-0.0 2,-0.4 -0.980 360.0 170.7-124.8 130.4 3.6 -13.6 21.2 3 3 A L E +A 38 0A 21 -2,-0.4 2,-0.4 35,-0.2 35,-0.2 -0.994 3.2 176.0-135.7 127.1 4.1 -10.3 23.0 4 4 A M E +A 37 0A 15 33,-2.5 33,-2.7 -2,-0.4 4,-0.1 -0.988 12.8 175.8-130.3 141.3 6.4 -7.5 21.7 5 5 A T + 0 0 21 -2,-0.4 30,-0.4 31,-0.2 -1,-0.1 0.132 69.7 41.4-131.2 16.8 6.7 -4.1 23.3 6 6 A K S S- 0 0 149 31,-0.1 17,-0.2 28,-0.1 -1,-0.1 -0.971 106.6 -62.3-154.1 159.9 9.5 -2.6 21.1 7 7 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.146 82.5 107.0 -47.8 136.9 10.2 -2.6 17.4 8 8 A G E -B 23 0A 28 15,-1.3 15,-2.5 -4,-0.1 2,-0.4 -0.970 57.7-105.8 170.8 177.1 10.8 -6.1 16.2 9 9 A T E +B 22 0A 56 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.972 25.4 175.9-130.1 142.1 9.5 -9.2 14.2 10 10 A S E -B 21 0A 37 11,-2.1 11,-3.2 -2,-0.4 2,-0.2 -0.993 23.1-132.7-142.2 142.0 8.3 -12.6 15.4 11 11 A D E +B 20 0A 76 -2,-0.3 2,-0.3 9,-0.3 9,-0.3 -0.640 31.7 166.1 -91.7 156.7 6.9 -15.5 13.5 12 12 A F E -B 19 0A 13 7,-2.6 7,-2.8 -2,-0.2 2,-0.4 -0.908 32.6-120.4-154.0 176.5 3.7 -17.2 14.5 13 13 A V E -B 18 0A 92 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.998 22.4-174.9-131.3 126.7 1.1 -19.7 13.3 14 14 A W E > S-B 17 0A 2 3,-2.6 3,-2.3 -2,-0.4 28,-0.1 -0.979 76.1 -20.6-126.0 116.6 -2.6 -18.7 13.1 15 15 A N T 3 S- 0 0 98 -2,-0.5 -1,-0.1 26,-0.4 27,-0.0 0.923 129.1 -51.6 51.8 44.9 -5.1 -21.3 12.1 16 16 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.461 112.6 124.4 75.4 -0.4 -2.3 -23.3 10.6 17 17 A I E < -B 14 0A 25 -3,-2.3 -3,-2.6 67,-0.0 2,-0.3 -0.846 59.7-134.1 -98.6 123.6 -1.0 -20.4 8.6 18 18 A P E +B 13 0A 24 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.607 40.1 162.5 -77.0 130.3 2.7 -19.4 9.1 19 19 A L E -B 12 0A 0 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.4 -0.870 33.4-133.0-143.7 170.6 2.9 -15.6 9.5 20 20 A S E -BC 11 70A 1 50,-2.0 50,-2.6 -2,-0.3 2,-0.5 -0.975 12.8-155.7-129.5 141.2 5.2 -12.9 10.7 21 21 A M E -BC 10 69A 0 -11,-3.2 -11,-2.1 -2,-0.4 2,-0.5 -0.967 9.3-169.1-118.8 136.4 4.2 -10.0 12.9 22 22 A E E -BC 9 68A 14 46,-3.1 46,-2.3 -2,-0.5 2,-1.8 -0.961 22.1-153.3-130.3 119.1 6.2 -6.8 12.9 23 23 A L E -B 8 0A 1 -15,-2.5 -15,-1.3 -2,-0.5 2,-0.8 -0.742 38.8-168.2 -87.0 89.7 5.8 -3.9 15.4 24 24 A N + 0 0 7 -2,-1.8 42,-2.6 -17,-0.2 3,-0.1 -0.789 35.5 155.2 -96.0 106.2 7.1 -1.7 12.6 25 25 A L > + 0 0 10 -2,-0.8 3,-1.8 40,-0.2 40,-0.1 -0.358 20.2 154.9-119.8 51.4 8.1 1.8 13.5 26 26 A W T 3 + 0 0 108 1,-0.3 39,-0.2 30,-0.0 -1,-0.1 0.772 67.7 39.7 -55.5 -36.8 10.4 2.2 10.5 27 27 A N T 3 S+ 0 0 0 37,-1.8 29,-1.7 -3,-0.1 2,-0.6 0.065 87.3 109.0-106.6 31.2 10.4 5.9 10.1 28 28 A I B < -S 55 0B 9 -3,-1.8 3,-0.1 27,-0.2 -3,-0.1 -0.915 51.3-160.7-111.2 118.3 10.4 7.0 13.7 29 29 A K S S- 0 0 129 25,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.896 72.0 -35.5 -56.1 -47.5 13.6 8.5 15.0 30 30 A E - 0 0 91 24,-0.3 24,-0.4 22,-0.2 2,-0.3 -0.940 61.7-159.4-169.0 163.1 12.8 7.9 18.6 31 31 A Y - 0 0 69 -2,-0.3 2,-0.3 22,-0.1 21,-0.2 -0.986 11.6-147.2-153.3 158.4 9.7 7.9 20.9 32 32 A S E + D 0 51A 47 19,-2.1 19,-2.5 -2,-0.3 2,-0.2 -0.768 67.9 43.8-114.9 164.4 8.6 8.2 24.5 33 33 A G E S- D 0 50A 42 -2,-0.3 2,-0.3 17,-0.3 17,-0.3 -0.556 88.7 -56.7 96.1-163.4 5.5 6.3 25.7 34 34 A S E - D 0 49A 15 15,-2.3 15,-3.1 -2,-0.2 2,-0.3 -0.911 29.9-176.5-131.7 153.6 4.5 2.7 24.9 35 35 A V E - D 0 48A 0 -30,-0.4 2,-0.3 -2,-0.3 13,-0.2 -0.977 10.1-179.8-137.9 144.2 3.6 0.2 22.2 36 36 A A E - D 0 47A 8 11,-2.4 11,-2.0 -2,-0.3 2,-0.4 -0.934 5.7-176.5-149.7 126.8 2.4 -3.4 22.6 37 37 A M E -AD 4 46A 0 -33,-2.7 -33,-2.5 -2,-0.3 2,-0.4 -0.984 14.5-179.0-123.5 134.9 1.6 -5.9 19.9 38 38 A K E -AD 3 45A 40 7,-2.8 7,-2.8 -2,-0.4 2,-0.4 -0.989 22.7-167.7-140.0 145.1 0.2 -9.3 20.9 39 39 A F E +AD 2 44A 4 -37,-2.5 -37,-2.5 -2,-0.4 5,-0.2 -0.995 7.1 177.0-125.2 125.4 -1.0 -12.6 19.4 40 40 A D - 0 0 71 3,-1.8 4,-0.1 -2,-0.4 -1,-0.1 0.275 62.0 -89.9-111.0 10.4 -2.9 -15.0 21.7 41 41 A G S S+ 0 0 32 2,-0.3 -26,-0.4 -39,-0.1 3,-0.1 0.076 122.7 44.3 104.6 -19.4 -3.7 -17.7 19.2 42 42 A E S S+ 0 0 138 1,-0.4 207,-0.5 -28,-0.1 2,-0.3 0.489 117.1 19.5-128.9 -20.2 -7.0 -16.3 18.0 43 43 A K E - E 0 248A 46 205,-0.1 -3,-1.8 206,-0.1 2,-0.5 -0.996 57.0-139.6-153.8 155.5 -6.4 -12.6 17.5 44 44 A I E -DE 39 247A 0 203,-2.2 203,-2.5 -2,-0.3 2,-0.3 -0.968 26.0-175.1-115.9 130.8 -3.6 -10.0 17.0 45 45 A T E -DE 38 246A 18 -7,-2.8 -7,-2.8 -2,-0.5 2,-0.4 -0.926 8.0-170.1-126.3 152.2 -3.9 -6.8 18.8 46 46 A F E -DE 37 245A 0 199,-2.4 199,-2.4 -2,-0.3 2,-0.3 -0.997 4.5-180.0-140.5 139.5 -1.8 -3.6 18.7 47 47 A D E -DE 36 244A 12 -11,-2.0 -11,-2.4 -2,-0.4 2,-0.4 -0.999 1.5-176.7-139.4 138.5 -1.8 -0.5 21.0 48 48 A A E +DE 35 243A 5 195,-2.7 195,-1.5 -2,-0.3 -13,-0.2 -0.999 19.6 164.9-137.6 136.3 0.2 2.6 20.9 49 49 A D E +DE 34 242A 51 -15,-3.1 -15,-2.3 -2,-0.4 2,-0.3 -0.678 35.7 149.8-142.6 84.7 0.4 5.7 23.1 50 50 A I E +DE 33 241A 0 191,-2.3 191,-2.9 -17,-0.3 -17,-0.3 -0.846 19.3 175.7-122.3 155.8 3.7 7.3 22.1 51 51 A Q E +D 32 0A 69 -19,-2.5 -19,-2.1 -2,-0.3 189,-0.2 -0.737 52.2 66.8-141.9-171.4 5.0 10.8 21.9 52 52 A N S S+ 0 0 96 187,-0.3 2,-0.2 -2,-0.2 -22,-0.2 0.803 72.0 167.7 58.7 36.0 8.2 12.7 21.1 53 53 A L + 0 0 10 186,-2.7 -1,-0.2 -3,-0.1 -22,-0.1 -0.569 14.8 155.5 -88.9 145.8 7.9 11.7 17.4 54 54 A S - 0 0 38 -24,-0.4 -25,-2.3 -2,-0.2 -24,-0.3 -0.953 48.2 -87.7-156.2 148.6 9.8 13.0 14.4 55 55 A P B -S 28 0B 15 0, 0.0 -27,-0.2 0, 0.0 4,-0.1 -0.351 18.7-148.0 -63.4 141.5 10.7 11.4 11.0 56 56 A K S S+ 0 0 119 -29,-1.7 -28,-0.1 1,-0.3 -29,-0.1 0.892 104.6 29.7 -71.2 -40.1 13.8 9.3 10.8 57 57 A E S > S- 0 0 106 -30,-0.2 3,-1.3 1,-0.2 4,-0.4 -0.740 80.0-178.8-119.4 79.3 14.0 10.5 7.1 58 58 A P G > S+ 0 0 86 0, 0.0 3,-2.6 0, 0.0 -1,-0.2 0.896 74.4 54.0 -43.4 -62.0 12.4 14.0 7.2 59 59 A E G 3 S+ 0 0 196 1,-0.3 3,-0.1 -4,-0.1 -2,-0.0 0.671 95.5 67.3 -53.8 -22.9 12.6 14.9 3.5 60 60 A R G < S- 0 0 171 -3,-1.3 -1,-0.3 1,-0.2 0, 0.0 0.671 87.4-164.5 -72.0 -14.9 10.9 11.7 2.3 61 61AA G < + 0 0 22 -3,-2.6 -1,-0.2 -4,-0.4 -4,-0.1 -0.168 39.2 97.8 57.1-162.1 7.7 13.1 4.0 62 61 A G S S- 0 0 47 -3,-0.1 -1,-0.1 85,-0.1 -2,-0.0 -0.199 74.4 -17.1 83.6-175.8 5.1 10.4 4.4 63 62 A V - 0 0 15 172,-0.1 171,-0.2 1,-0.1 172,-0.2 -0.028 42.7-139.4 -69.0 167.5 4.1 8.1 7.3 64 63 A L S S- 0 0 0 169,-3.0 -37,-1.8 1,-0.3 2,-0.3 0.739 73.8 -10.9 -99.5 -29.8 6.0 7.3 10.5 65 64 A G B -F 233 0A 0 168,-1.5 168,-1.6 -39,-0.2 -1,-0.3 -0.960 41.4-147.1-161.7 177.5 5.3 3.6 10.9 66 65 A Y - 0 0 4 -42,-2.6 166,-0.2 -2,-0.3 -41,-0.1 -0.419 14.8-165.0-156.0 64.8 3.3 0.5 9.8 67 66 A P + 0 0 0 0, 0.0 164,-1.8 0, 0.0 2,-0.3 -0.368 39.5 138.4 -53.6 132.0 2.6 -2.0 12.7 68 67 A E E -CG 22 230A 0 -46,-2.3 -46,-3.1 162,-0.2 2,-0.3 -0.943 49.9-130.8-165.1 173.0 1.5 -5.1 10.7 69 68 A F E -CG 21 229A 1 160,-2.2 160,-2.5 -2,-0.3 2,-0.3 -0.939 29.8-171.8-134.4 158.5 1.5 -8.9 10.2 70 69 A Y E -CG 20 228A 2 -50,-2.6 -50,-2.0 -2,-0.3 2,-0.5 -0.995 25.0-136.2-154.0 159.3 2.2 -10.6 6.8 71 70 A Y E S+ G 0 227A 12 156,-2.1 156,-2.1 -2,-0.3 2,-0.2 -0.970 73.5 8.3-114.3 128.1 2.2 -13.9 4.9 72 71 A G E S- G 0 226A 2 -2,-0.5 2,-0.6 -54,-0.3 9,-0.5 -0.647 103.3 -24.2 108.2-162.5 5.2 -14.5 2.7 73 72 A Y - 0 0 3 152,-2.5 7,-0.2 -2,-0.2 3,-0.1 -0.837 44.1-157.0-101.6 113.9 8.5 -12.9 2.1 74 73 A K B >>> -T 79 0C 12 5,-2.4 3,-1.9 -2,-0.6 5,-1.3 -0.791 10.3-155.1 -90.3 106.3 8.9 -9.2 2.9 75 74 A P G >45S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.859 88.4 58.1 -50.3 -43.1 11.9 -8.1 0.6 76 75 A W G 345S+ 0 0 94 1,-0.2 51,-0.1 2,-0.1 -2,-0.0 0.640 116.5 35.2 -66.7 -13.3 13.0 -5.1 2.7 77 76 A E G <45S- 0 0 96 -3,-1.9 -1,-0.2 2,-0.2 3,-0.1 0.457 98.3-133.3-115.1 -2.9 13.5 -7.5 5.7 78 77 A N T <<5 + 0 0 107 -4,-1.0 2,-0.4 -3,-0.8 -2,-0.1 0.902 65.6 130.3 46.4 48.8 14.8 -10.6 3.8 79 78 A H B < +T 74 0C 52 -5,-1.3 -5,-2.4 -59,-0.0 2,-0.3 -0.984 31.7 157.2-141.6 142.0 12.3 -12.5 5.9 80 79 A T - 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